-
Name
Lumazine
- EINECS 207-652-7
- CAS No. 487-21-8
- Article Data23
- CAS DataBase
- Density 1.523 g/cm3
- Solubility 0.125 g/100 mL (25 ºC)
- Melting Point 300 °C
- Formula C6H4N4O2
- Boiling Point 551.1oC at 760 mmHg
- Molecular Weight 164.123
- Flash Point 287.1oC
- Transport Information
- Appearance LIGHT YELLOW TO OCHRE POWDER
- Safety 22-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,4(3H,8H)-Pteridinedione;2,4-Dihydroxypteridine;2,4-Pteridinediol;NSC 225113;NSC 41801;Pteridine-2,4-dione;
- PSA 91.50000
- LogP -0.99360
Lumazine Specification
The Lumazine, with CAS registry number 487-21-8, belongs to the following product category of Heterocycles. It has the systematic name of Pteridine-2,4(1H,3H)-dione. Its other registry number is 27899-40-7. When ues this chemical, please do not breathe dust and avoid contact with skin and eyes. This chemical is light yellow to ochre powder. The product should be sealed and stored in cool and dry place.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.098; (5)ACD/KOC (pH 7.4): 15.467; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 83.98 Å2; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 36.955 cm3; (12)Molar Volume: 107.771 cm3; (13)Surface Tension: 68.816 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc2c(n1)c(=O)[nH]c(=O)[nH]2
(2)InChI: InChI=1/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
(3)InChIKey: UYEUUXMDVNYCAM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
(5)Std. InChIKey: UYEUUXMDVNYCAM-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | > 400mg/kg (400mg/kg) | Chimica Therapeutica. Vol. 3, Pg. 100, 1968 |
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